**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

3-Propylmalate

Properties Image MNX_ID MNXM4348 reference keggC:C02123 formula C7H12O5 global charge 0 mol weight 176.168 InChIKey LOLHYFQEDPGSHZ-AKGZTFGVSA-N InChI InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m0/s1 SMILES CCCC(C(=O)O)[C@H](O)C(=O)O MNX internals InChI (mnx) InChI=1/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m0/s1 SMILES (mnx) [CH:1]([C@H:2]([C:5]([OH:10])=[O:11])[CH3:6])([CH2:3][CH2:7][OH:12])[C:4]([OH:8])=[O:9]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
kegg.compound:C02123 keggC:C02123 LOLHYFQEDPGSHZ-AKGZTFGVSA-N	3-Propylmalate 3-Propylmalic acid
seed.compound:cpd01436 seedM:cpd01436 LOLHYFQEDPGSHZ-AKGZTFGVSA-L	3-Propylmalate 3-propylmalate
metacyc.compound:CPD-52 metacycM:CPD-52 LOLHYFQEDPGSHZ-AKGZTFGVSA-L	3-propylmalate
CHEBI:15594 chebi:15594 LOLHYFQEDPGSHZ-UHFFFAOYSA-L	3-propylmalate 2-hydroxy-3-propylbutanedioate 2-hydroxy-3-propylsuccinate 3-propylmalate(2-)
CHEBI:30850 chebi:30850 LOLHYFQEDPGSHZ-UHFFFAOYSA-N	3-propylmalic acid 2-hydroxy-3-propylbutanedioic acid
lipidmaps:LMFA01170064 lipidmapsM:LMFA01170064 LOLHYFQEDPGSHZ-UHFFFAOYSA-N	3-propylmalic acid 2-hydroxy-3-propylbutanedioic acid 3-propylmalic acid FA 7:1 O3
chebi:11887 chebi:1663 chebi:20196 chebi:20197 keggC:M_C02123 seedM:M_cpd01436	secondary/obsolete/fantasy identifier